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5-fluoro-2,4-dinitroaniline

5-fluoro-2,4-dinitroaniline

CAS: 367-81-7

Formula: C6H4FN3O4

SMILES: NC1=CC(F)=C(C=C1N(=O)=O)N(=O)=O

IUPAC: 5-fluoro-2,4-dinitroaniline

InChI: InChI=1S/C6H4FN3O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,8H2

Composition: C (35.83%), H (2.00%), F (9.45%), N (20.89%), O (31.82%)

Molar Mass: 201.113

Atom Count: 18

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 201.018583784
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey RAGRTYREMCPEIV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.62
Topological Polar Surface Area 117.66
Polarizability 15.29
Ring Count 1
Rotatable Bond Count 2

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